2-[[4-[(2-fluorophenyl)methoxy]phenyl]methylamino]-3H-quinazolin-4-one

C22H18FN3O2 — CID 137266124

IUPAC2-[[4-[(2-fluorophenyl)methoxy]phenyl]methylamino]-3H-quinazolin-4-one
SMILESO=c1[nH]c(NCc2ccc(OCc3ccccc3F)cc2)nc2ccccc12
InChIInChI=1S/C22H18FN3O2/c23-19-7-3-1-5-16(19)14-28-17-11-9-15(10-12-17)13-24-22-25-20-8-4-2-6-18(20)21(27)26-22/h1-12H,13-14H2,(H2,24,25,26,27)
InChIKeyYRFRBAVBQGGLHS-UHFFFAOYSA-N
MW375.40 g/mol
LogP4.25
Rot. Bonds6

About 2-[[4-[(2-fluorophenyl)methoxy]phenyl]methylamino]-3H-quinazolin-4-one

2-[[4-[(2-fluorophenyl)methoxy]phenyl]methylamino]-3H-quinazolin-4-one (PubChem CID 137266124) has the molecular formula C22H18FN3O2 and a molecular weight of 375.40 g/mol. Its IUPAC name is 2-[[4-[(2-fluorophenyl)methoxy]phenyl]methylamino]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[[4-[(2-fluorophenyl)methoxy]phenyl]methylamino]-3H-quinazolin-4-one
PubChem CID137266124
Molecular FormulaC22H18FN3O2
Molecular Weight375.40 g/mol
Exact Mass375.14
IUPAC Name2-[[4-[(2-fluorophenyl)methoxy]phenyl]methylamino]-3H-quinazolin-4-one
SMILESO=c1[nH]c(NCc2ccc(OCc3ccccc3F)cc2)nc2ccccc12
InChIInChI=1S/C22H18FN3O2/c23-19-7-3-1-5-16(19)14-28-17-11-9-15(10-12-17)13-24-22-25-20-8-4-2-6-18(20)21(27)26-22/h1-12H,13-14H2,(H2,24,25,26,27)
InChIKeyYRFRBAVBQGGLHS-UHFFFAOYSA-N
XLogP4.25
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.40
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[4-[(2-fluorophenyl)methoxy]phenyl]methylamino]-3H-quinazolin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[4-(dimethylamino)phenyl]methylamino]-3H-quinazolin-4-one
CID 137264078
5-chloro-4-[[4-[(2-fluorophenyl)methoxy]phenyl]methylamino]-1H-pyridazin-6-one
CID 133477281
N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-4-phenoxyaniline
CID 126121743
N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-4-methoxyaniline
CID 126127256
2-[[5-(difluoromethoxy)-2-pyridinyl]methylamino]-3H-quinazolin-4-one
CID 137262894
2-[(4-ethoxy-3-methoxyphenyl)methylamino]-3H-quinazolin-4-one
CID 137264237
2-[[5-(2-fluorophenyl)furan-2-yl]methylamino]-3H-quinazolin-4-one
CID 166201526
2-[[2-(azepan-1-ylmethyl)phenyl]methylamino]-3H-quinazolin-4-one
CID 137251073
2-cyano-N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]acetamide
CID 20991735
2-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]-3H-quinazolin-4-one
CID 136748011
6-[[4-[(2-fluorophenyl)methoxy]phenyl]methylamino]pyridazine-3-carboxamide
CID 133477298
N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-4-methylsulfonylaniline
CID 133477267

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(2-fluorophenyl)methoxy]phenyl]methylamino]-3H-quinazolin-4-one?
The IUPAC name of 2-[[4-[(2-fluorophenyl)methoxy]phenyl]methylamino]-3H-quinazolin-4-one (CID 137266124) is 2-[[4-[(2-fluorophenyl)methoxy]phenyl]methylamino]-3H-quinazolin-4-one.
What is the SMILES notation for 2-[[4-[(2-fluorophenyl)methoxy]phenyl]methylamino]-3H-quinazolin-4-one?
The canonical SMILES for 2-[[4-[(2-fluorophenyl)methoxy]phenyl]methylamino]-3H-quinazolin-4-one is O=c1[nH]c(NCc2ccc(OCc3ccccc3F)cc2)nc2ccccc12.
What is the InChIKey of 2-[[4-[(2-fluorophenyl)methoxy]phenyl]methylamino]-3H-quinazolin-4-one?
The InChIKey is YRFRBAVBQGGLHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN3O2/c23-19-7-3-1-5-16(19)14-28-17-11-9-15(10-12-17)13-24-22-25-20-8-4-2-6-18(20)21(27)26-22/h1-12H,13-14H2,(H2,24,25,26,27).
What are the key properties of 2-[[4-[(2-fluorophenyl)methoxy]phenyl]methylamino]-3H-quinazolin-4-one?
2-[[4-[(2-fluorophenyl)methoxy]phenyl]methylamino]-3H-quinazolin-4-one has a molecular weight of 375.40 g/mol, XLogP of 4.25, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(2-fluorophenyl)methoxy]phenyl]methylamino]-3H-quinazolin-4-one is sourced from PubChem (CID 137266124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).